N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide

C15H13BrN2O2S — CID 107789633

IUPACN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(N)=S)cc2Br)c1O
InChIInChI=1S/C15H13BrN2O2S/c1-8-3-2-4-10(13(8)19)15(20)18-12-6-5-9(14(17)21)7-11(12)16/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyBWBFVOXAVYYPDG-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.35
Rot. Bonds3

About N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide

N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 107789633) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
PubChem CID107789633
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(N)=S)cc2Br)c1O
InChIInChI=1S/C15H13BrN2O2S/c1-8-3-2-4-10(13(8)19)15(20)18-12-6-5-9(14(17)21)7-11(12)16/h2-7,19H,1H3,(H2,17,21)(H,18,20)
InChIKeyBWBFVOXAVYYPDG-UHFFFAOYSA-N
XLogP3.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(2-bromo-4-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 107789815
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide (CID 107789633) is N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(N)=S)cc2Br)c1O.
What is the InChIKey of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is BWBFVOXAVYYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-8-3-2-4-10(13(8)19)15(20)18-12-6-5-9(14(17)21)7-11(12)16/h2-7,19H,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide?
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 365.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107789633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).